methyl 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-(2-phenylethanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-(2-phenylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-methyl-5-[(3-nitroanilino)-oxomethyl]-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-[(2-phenylacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O6S/c1-13-18(22(28)31-2)21(24-17(26)11-14-7-4-3-5-8-14)32-19(13)20(27)23-15-9-6-10-16(12-15)25(29)30/h3-10,12H,11H2,1-2H3,(H,23,27)(H,24,26)